Geometry & MOs

Info

ID:	87909
PubChem CID:	49898558
Reduced:	BrSN2O4H23C30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	498.918425
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.64
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)Br

DOS

IR

Vibrations